N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine

C8H15F3N2 — CID 126546756

IUPACN-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine
SMILESCCCCC/C(=N/NC)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-3-4-5-6-7(13-12-2)8(9,10)11/h12H,3-6H2,1-2H3/b13-7-
InChIKeyOUOVDEBXWNYIRN-QPEQYQDCSA-N
MW196.22 g/mol
LogP2.70
Rot. Bonds5

About N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine

N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine (PubChem CID 126546756) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine
PubChem CID126546756
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC NameN-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine
SMILESCCCCC/C(=N/NC)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-3-4-5-6-7(13-12-2)8(9,10)11/h12H,3-6H2,1-2H3/b13-7-
InChIKeyOUOVDEBXWNYIRN-QPEQYQDCSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine?
The IUPAC name of N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine (CID 126546756) is N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine.
What is the SMILES notation for N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine?
The canonical SMILES for N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine is CCCCC/C(=N/NC)C(F)(F)F.
What is the InChIKey of N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine?
The InChIKey is OUOVDEBXWNYIRN-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-3-4-5-6-7(13-12-2)8(9,10)11/h12H,3-6H2,1-2H3/b13-7-.
What are the key properties of N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine?
N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine has a molecular weight of 196.22 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,1,1-trifluoroheptan-2-ylideneamino]methanamine is sourced from PubChem (CID 126546756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).